Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1702
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_one . 1702 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HE1 H 1 1.99 . . 1 . . . . . . . . 1702 1
2 . 1 1 1 1 MET HE2 H 1 1.99 . . 1 . . . . . . . . 1702 1
3 . 1 1 1 1 MET HE3 H 1 1.99 . . 1 . . . . . . . . 1702 1
4 . 1 1 6 6 HIS HE1 H 1 8.44 . . 1 . . . . . . . . 1702 1
5 . 1 1 11 11 VAL HG11 H 1 -.52 . . 1 . . . . . . . . 1702 1
6 . 1 1 11 11 VAL HG12 H 1 -.52 . . 1 . . . . . . . . 1702 1
7 . 1 1 11 11 VAL HG13 H 1 -.52 . . 1 . . . . . . . . 1702 1
8 . 1 1 11 11 VAL HG21 H 1 -.39 . . 1 . . . . . . . . 1702 1
9 . 1 1 11 11 VAL HG22 H 1 -.39 . . 1 . . . . . . . . 1702 1
10 . 1 1 11 11 VAL HG23 H 1 -.39 . . 1 . . . . . . . . 1702 1
11 . 1 1 14 14 TYR HE1 H 1 6.47 . . 1 . . . . . . . . 1702 1
12 . 1 1 14 14 TYR HE2 H 1 6.47 . . 1 . . . . . . . . 1702 1
13 . 1 1 39 39 PRO HB2 H 1 2.29 . . 1 . . . . . . . . 1702 1
14 . 1 1 39 39 PRO HB3 H 1 2.29 . . 1 . . . . . . . . 1702 1
15 . 1 1 39 39 PRO HG2 H 1 2.29 . . 1 . . . . . . . . 1702 1
16 . 1 1 39 39 PRO HG3 H 1 2.29 . . 1 . . . . . . . . 1702 1
17 . 1 1 55 55 TYR HE1 H 1 6.47 . . 1 . . . . . . . . 1702 1
18 . 1 1 55 55 TYR HE2 H 1 6.47 . . 1 . . . . . . . . 1702 1
19 . 1 1 84 84 VAL HG11 H 1 .47 . . 1 . . . . . . . . 1702 1
20 . 1 1 84 84 VAL HG12 H 1 .47 . . 1 . . . . . . . . 1702 1
21 . 1 1 84 84 VAL HG13 H 1 .47 . . 1 . . . . . . . . 1702 1
22 . 1 1 84 84 VAL HG21 H 1 .47 . . 1 . . . . . . . . 1702 1
23 . 1 1 84 84 VAL HG22 H 1 .47 . . 1 . . . . . . . . 1702 1
24 . 1 1 84 84 VAL HG23 H 1 .47 . . 1 . . . . . . . . 1702 1
25 . 1 1 88 88 TYR HE1 H 1 6.38 . . 1 . . . . . . . . 1702 1
26 . 1 1 88 88 TYR HE2 H 1 6.38 . . 1 . . . . . . . . 1702 1
27 . 1 1 100 100 HIS HE1 H 1 7.34 . . 1 . . . . . . . . 1702 1
28 . 1 1 122 122 HIS HE1 H 1 7.67 . . 1 . . . . . . . . 1702 1
29 . 1 1 125 125 ALA HA H 1 4.16 . . 1 . . . . . . . . 1702 1
30 . 1 1 125 125 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1702 1
31 . 1 1 125 125 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1702 1
32 . 1 1 125 125 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1702 1
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save_